2-(isoquinolin-2-ium-2-ylmethyl)-6-methyl-quinoline iodide

Systemtic Name: 2-(isoquinolin-2-ium-2-ylmethyl)-6-methyl-quinoline iodide Openeye Name: 2-(isoquinolin-2-ium-2-ylmethyl)-6-methyl-quinoline iodide CAS Name: 2-(2-isoquinolin-2-iumylmethyl)-6-methylquinoline iodide IUPAC Name: 2-(isoquinolin-2-ium-2-ylmethyl)-6-methylquinoline iodide Traditional Name: 2-(isoquinolin-2-ium-2-ylmethyl)-6-methyl-quinoline iodide Formula: C20H17IN2 MolecularWeight: 412.26685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2)C[N+]3=CC4=CC=CC=C4C=C3.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2)C[N+]3=CC4=CC=CC=C4C=C3.[I-]

InChI

InChI=1S/C20H17N2.HI/c1-15-6-9-20-17(12-15)7-8-19(21-20)14-22-11-10-16-4-2-3-5-18(16)13-22;/h2-13H,14H2,1H3;1H/q+1;/p-1